3-(3,4-dimethoxyphenyl)propan-1-amine

C11H17NO2 — CID 2281053

IUPAC3-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCCN)cc1OC
InChIInChI=1S/C11H17NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyWYYQSKUMIFPNFW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.60
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)propan-1-amine

3-(3,4-dimethoxyphenyl)propan-1-amine (PubChem CID 2281053) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)propan-1-amine
PubChem CID2281053
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-(3,4-dimethoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCCN)cc1OC
InChIInChI=1S/C11H17NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyWYYQSKUMIFPNFW-UHFFFAOYSA-N
XLogP1.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
3-[3-methoxy-4-(2-methoxyethoxy)phenyl]propan-1-amine
CID 170879181
3-[4-(3-chloropropoxy)-3-methoxyphenyl]propan-1-amine
CID 170867447
3-[4-methoxy-3-(2-methylpropoxy)phenyl]propan-1-amine
CID 82161145
5-(3-aminopropyl)-2-methoxyphenol
CID 55265877
3-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 82186047
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
3-[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 82186044
sodium 5-(3-aminopropyl)-2-methoxybenzenesulfonate
CID 170867429
4-(4-iodobutyl)-1,2-dimethoxybenzene
CID 86035361
1,2-dimethoxy-4-(4-methoxybutyl)benzene
CID 70361362
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)propan-1-amine (CID 2281053) is 3-(3,4-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)propan-1-amine is COc1ccc(CCCN)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)propan-1-amine?
The InChIKey is WYYQSKUMIFPNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)propan-1-amine?
3-(3,4-dimethoxyphenyl)propan-1-amine has a molecular weight of 195.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 2281053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).